Geometry & MOs

Info

ID:	67074
PubChem CID:	46505816
Reduced:	O5C32H34 (1)
Stoich.:	A5B32C34 (1)
Weight, g/mol:	478.271924
ΔH_f, kcal/mol:	-106.52
Dipole, Da:	4.49
IP(EA), eV:	-8.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-tert-butyl-2,6-bis[(4-ethoxy-3-methoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OCC)OC)/CC(C2)C4=CC=CC=C4)OC

DOS

IR

Vibrations